2-[(4-acetamidophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid

C16H17N3O5S — CID 4738975

IUPAC2-[(4-acetamidophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid
SMILESCCN(c1ncccc1C(=O)O)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H17N3O5S/c1-3-19(15-14(16(21)22)5-4-10-17-15)25(23,24)13-8-6-12(7-9-13)18-11(2)20/h4-10H,3H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyRBENASYPSIRQNW-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.95
Rot. Bonds6

About 2-[(4-acetamidophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid

2-[(4-acetamidophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid (PubChem CID 4738975) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid
PubChem CID4738975
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid
SMILESCCN(c1ncccc1C(=O)O)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H17N3O5S/c1-3-19(15-14(16(21)22)5-4-10-17-15)25(23,24)13-8-6-12(7-9-13)18-11(2)20/h4-10H,3H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyRBENASYPSIRQNW-UHFFFAOYSA-N
XLogP1.95
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-acetamidophenyl)sulfonyl-methylamino]pyridine-3-carboxylic acid
CID 4738961
N-[4-[(2,5-dimethylphenyl)-ethylsulfamoyl]phenyl]acetamide
CID 94622687
2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1015438
2-(N-(4-acetamidophenyl)sulfonylanilino)acetyl chloride
CID 50889182
N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]phenyl]acetamide
CID 39387601
2-(N-(4-acetamidophenyl)sulfonyl-2,6-dichloroanilino)acetic acid
CID 50889394
N-[4-(diphenylsulfamoyl)phenyl]acetamide
CID 4296300
N-[4-[butyl(ethyl)sulfamoyl]phenyl]acetamide
CID 2164655
4-acetamidobenzenesulfonic acid chloride
CID 53446633
4-[ethyl(phenyl)sulfamoyl]-N-pyridin-4-ylbenzamide
CID 24980451
N-[4-[(2-ethoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889321
N-[4-[2-phenylethyl(pyridin-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 121084567

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid (CID 4738975) is 2-[(4-acetamidophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid is CCN(c1ncccc1C(=O)O)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid?
The InChIKey is RBENASYPSIRQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-3-19(15-14(16(21)22)5-4-10-17-15)25(23,24)13-8-6-12(7-9-13)18-11(2)20/h4-10H,3H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid?
2-[(4-acetamidophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid has a molecular weight of 363.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 4738975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).